2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide

C17H17ClFNO — CID 17167985

IUPAC2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H17ClFNO/c1-10-4-5-11(2)15(8-10)12(3)20-17(21)14-7-6-13(19)9-16(14)18/h4-9,12H,1-3H3,(H,20,21)
InChIKeyMHTKWUPKXUNFQI-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.59
Rot. Bonds3

About 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide

2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide (PubChem CID 17167985) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
PubChem CID17167985
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H17ClFNO/c1-10-4-5-11(2)15(8-10)12(3)20-17(21)14-7-6-13(19)9-16(14)18/h4-9,12H,1-3H3,(H,20,21)
InChIKeyMHTKWUPKXUNFQI-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 63110602
N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
CID 16560846
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 30399426
N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 43297866
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94018888
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide
CID 81227397
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide (CID 17167985) is 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide is Cc1ccc(C)c(C(C)NC(=O)c2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide?
The InChIKey is MHTKWUPKXUNFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-10-4-5-11(2)15(8-10)12(3)20-17(21)14-7-6-13(19)9-16(14)18/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide?
2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide has a molecular weight of 305.78 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 17167985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).